Structural,electronic, and magnetic properties of zigzag-edged BN nanoribbons with 558-type line defects |
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| Affiliation: | 1. Soochow Institute for Energy and Materials Innovations (SIEMIS), College of Physics, Optoelectronics and Energy & Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215006, China;2. Laboratory of Advanced Optoelectronic Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, China;1. School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, China;2. Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 200240, China;3. ARC Centre of Excellence in Exciton Science, School of Chemistry, The University of Melbourne, Parkville, Victoria 3010, Australia;1. Hunan Key Laboratory for Super-microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083, China;2. Light Alloy Research Institute, Central South University, Changsha, 410083, China;3. Department of Physics and Astronomy, University of Rochester, Rochester, NY 14627, USA;1. School of Materials Science & Engineering, Gwangju Institute of Science and Technology (GIST), 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61002, Republic of Korea;2. Institute for Solar and Sustainable Energies (RISE), Gwangju Institute of Science and Technology (GIST), 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61002, Republic of Korea;3. Department of Chemistry and Centre for Plastic Electronics, Imperial College London, Exhibition Rd, London, SW7 2AZ, UK;4. Department of Chemical Engineering and Materials Science, University of California-Irvine, Irvine, CA, 92697, United States;1. Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials(IAM), Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing University of Posts & Telecommunications, 9 Wenyuan Road, Nanjing 210023, China;2. Key Laboratory of Flexible Electronics (KLOFE) & Institute of Advanced Materials (IAM), Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing Tech University (NanjingTech), 30 South Puzhu Road, Nanjing 211816, China;1. Holst Centre, High Tech Campus 31, 5656AE, Eindhoven, The Netherlands;2. Material Analysis, Philips Innovation Laboratories, High Tech Campus 11, 5656AE, Eindhoven, The Netherlands |
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| Abstract: | The 558-type line defect is introduced into zigzag-edged BN nanoribbons (ZBNNRs), similar to that be found in graphene, and the structural, electronic, and magnetic properties for such defective ZBNNRs are investigated systematically. It shows that they are highly stable. In the nonmagnetic state, the metallic property of ZBNNRs remains unchanged regardless of the defect positions, but different defect positions give rise to different influences on the total DOS and PDOS at the Fermi level. Interestingly, in the magnetic state, the thermal stability of magnetism is enhanced greatly when the line defect appears at most positions, even comparable with room temperature. When the line defect position shifts from the B-edge to the N-edge, the transition from the half-metal to the magnetic semiconductor or spin unpolarized semiconductor is induced. And also, the response of defect ribbons to an in-plane transverse electric field is essentially different from defect-free ribbons, and the half-metallic feature can be enhanced by an electric field for the line defect introduced into certain positions in a ribbon. |
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| Keywords: | Zigzag-edged BN nanoribbon 558-Type line defect Electronic and magnetic property Half-metal Electric field |
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